1-(7-hydroxynaphthalen-1-yl)-3-phenylurea

C17H14N2O2 — CID 5330587

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H14N2O2/c20-14-10-9-12-5-4-8-16(15(12)11-14)19-17(21)18-13-6-2-1-3-7-13/h1-11,20H,(H2,18,19,21)
InChIKeyUUAPFBCLZLDKHG-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.19
Rot. Bonds2

About 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea

1-(7-hydroxynaphthalen-1-yl)-3-phenylurea (PubChem CID 5330587) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-phenylurea
PubChem CID5330587
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H14N2O2/c20-14-10-9-12-5-4-8-16(15(12)11-14)19-17(21)18-13-6-2-1-3-7-13/h1-11,20H,(H2,18,19,21)
InChIKeyUUAPFBCLZLDKHG-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea (CID 5330587) is 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea?
The InChIKey is UUAPFBCLZLDKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-14-10-9-12-5-4-8-16(15(12)11-14)19-17(21)18-13-6-2-1-3-7-13/h1-11,20H,(H2,18,19,21).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea?
1-(7-hydroxynaphthalen-1-yl)-3-phenylurea has a molecular weight of 278.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-phenylurea is sourced from PubChem (CID 5330587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).